N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C14H13BrN2OS — CID 5425293

IUPACN-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2OS/c1-10(11-4-2-5-12(15)8-11)16-17-14(18)9-13-6-3-7-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10-
InChIKeyIYFJCUIZHFLZQZ-YBEGLDIGSA-N
MW337.24 g/mol
LogP3.59
Rot. Bonds4

About N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5425293) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5425293
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2OS/c1-10(11-4-2-5-12(15)8-11)16-17-14(18)9-13-6-3-7-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10-
InChIKeyIYFJCUIZHFLZQZ-YBEGLDIGSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 135680368
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 5425293) is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is C/C(=N/NC(=O)Cc1cccs1)c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is IYFJCUIZHFLZQZ-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-10(11-4-2-5-12(15)8-11)16-17-14(18)9-13-6-3-7-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 337.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5425293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).